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{
"id": "jvasp-49606",
"created_at": "2022-09-04T14:37:27.837916Z",
"updated_at": "2022-09-04T14:37:27.837941Z",
"structure_string": "V2 Zn4 Sb2 O12\n1.0\n0.000000 5.251348 -0.010929\n7.720697 0.000000 0.000000\n0.000000 -0.077599 -5.284196\nV Zn Sb O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.489434 0.750000 0.450070 Zn\n0.510566 0.250000 0.549931 Zn\n0.975391 0.750000 0.982794 Zn\n0.024609 0.250000 0.017207 Zn\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.327298 0.566321 0.676640 O\n0.607378 0.750000 0.075599 O\n0.672702 0.066320 0.323361 O\n0.129491 0.250000 0.418756 O\n0.170828 0.932350 0.178370 O\n0.829172 0.067651 0.821631 O\n0.170828 0.567651 0.178370 O\n0.327298 0.933680 0.676640 O\n0.870509 0.750000 0.581245 O\n0.672702 0.433680 0.323361 O\n0.829172 0.432350 0.821631 O\n0.392622 0.250000 0.924402 O\n",
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{
"id": "jvasp-69499",
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"updated_at": "2022-09-04T14:35:42.457893Z",
"structure_string": "Be2 Cr1 Ru1\n1.0\n2.826736 0.000000 -0.000000\n0.000000 2.826736 0.000000\n0.000000 0.000000 5.363010\nBe Cr Ru\n2 1 1\ndirect\n0.000000 0.000000 0.024669 Be\n0.500001 0.500001 0.225584 Be\n0.000000 0.000000 0.497809 Cr\n0.500001 0.500001 0.751938 Ru\n",
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{
"id": "jvasp-8642",
"created_at": "2022-09-04T14:37:06.321023Z",
"updated_at": "2022-09-04T14:37:06.321040Z",
"structure_string": "Mn1 O2\n1.0\n2.689043 -0.043637 3.935279\n1.183958 2.414767 3.935279\n-0.071276 -0.043637 4.765742\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262317 0.262314 0.262316 O\n0.737686 0.737682 0.737686 O\n",
"nsites": 3,
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],
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"volume": 32.14016572839175,
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"formula_full": "Mn1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-110870",
"created_at": "2022-09-04T14:38:37.406157Z",
"updated_at": "2022-09-04T14:38:37.406182Z",
"structure_string": "Tb1 Cu1 O3\n1.0\n3.769638 -0.000000 0.000000\n0.000000 3.769638 0.000000\n-0.000000 -0.000000 3.769638\nTb Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"volume": 53.567199272660204,
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"formula_full": "Tb1 Cu1 O3",
"formula_reduced": "TbCuO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-80115",
"created_at": "2022-09-04T14:37:08.890971Z",
"updated_at": "2022-09-04T14:37:08.890989Z",
"structure_string": "Mn1 Co3\n1.0\n3.499447 -0.000000 0.000000\n0.000000 3.499447 0.000000\n-0.000000 -0.000000 3.499447\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"density": 8.979401635442379,
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},
{
"id": "jvasp-119594",
"created_at": "2022-09-04T14:38:49.423227Z",
"updated_at": "2022-09-04T14:38:49.423254Z",
"structure_string": "Li4 Nb3 V3 Fe2 O16\n1.0\n5.932551 0.044644 0.096045\n2.950448 5.147039 0.096045\n0.049450 0.028901 9.868093\nLi Nb V Fe O\n4 3 3 2 16\ndirect\n0.343319 0.343318 0.100810 Li\n0.984048 0.984047 0.001746 Li\n0.982560 0.982559 0.509594 Li\n0.669568 0.669568 0.609223 Li\n0.169556 0.169556 0.783940 Nb\n0.839513 0.346686 0.285425 Nb\n0.346687 0.839512 0.285425 Nb\n0.178517 0.646427 0.786432 V\n0.826904 0.826903 0.286037 V\n0.646428 0.178516 0.786432 V\n0.338290 0.338289 0.508135 Fe\n0.666699 0.666698 0.996201 Fe\n0.835885 0.835884 0.889307 O\n0.830045 0.318732 0.898107 O\n0.667762 0.667762 0.411917 O\n0.520202 0.981368 0.163314 O\n0.981369 0.520201 0.163314 O\n0.162803 0.162803 0.409419 O\n0.032953 0.488804 0.662523 O\n0.485376 0.485375 0.668881 O\n0.159071 0.677785 0.395969 O\n-0.001665 -0.001665 0.181852 O\n-0.003463 -0.003463 0.689059 O\n0.329201 0.329201 0.906116 O\n0.523359 0.523359 0.156369 O\n0.677786 0.159070 0.395969 O\n0.488805 0.032952 0.662523 O\n0.318733 0.830044 0.898107 O\n",
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"formula_full": "Li4 Nb3 V3 Fe2 O16",
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"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
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{
"id": "jvasp-23343",
"created_at": "2022-09-04T14:37:47.931063Z",
"updated_at": "2022-09-04T14:37:47.931095Z",
"structure_string": "Co8 Si4\n1.0\n3.713690 -0.000000 0.000000\n0.000000 4.904398 0.000000\n0.000000 0.000000 7.059441\nCo Si\n8 4\ndirect\n0.750000 0.827568 0.434753 Co\n0.250000 0.172433 0.565247 Co\n0.750000 0.327567 0.065247 Co\n0.250000 0.672433 0.934753 Co\n0.250000 0.536541 0.283494 Co\n0.750000 0.463459 0.716506 Co\n0.250000 0.036541 0.216506 Co\n0.750000 0.963459 0.783494 Co\n0.250000 0.204398 0.894234 Si\n0.750000 0.795603 0.105766 Si\n0.250000 0.704398 0.605766 Si\n0.750000 0.295603 0.394234 Si\n",
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"elements": [
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"density": 7.539753442695543,
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"volume": 128.5765201905382,
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"formula_full": "Co8 Si4",
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"spacegroup": 62
},
{
"id": "jvasp-36019",
"created_at": "2022-09-04T14:36:41.822255Z",
"updated_at": "2022-09-04T14:36:41.822275Z",
"structure_string": "Ge1 C1\n1.0\n2.204587 2.204587 -0.000000\n2.204587 0.000000 -2.204587\n0.000000 2.204587 -2.204587\nGe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500001 0.500001 0.500001 C\n",
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},
{
"id": "jvasp-67730",
"created_at": "2022-09-04T14:36:05.298783Z",
"updated_at": "2022-09-04T14:36:05.298813Z",
"structure_string": "Li1 Be1 Co1\n1.0\n-1.359313 1.359313 4.349148\n1.359313 -1.359313 4.349148\n1.359313 1.359313 -4.349148\nLi Be Co\n1 1 1\ndirect\n0.667501 0.667501 0.000000 Li\n0.968011 0.968011 0.000000 Be\n0.364488 0.364488 0.000000 Co\n",
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{
"id": "jvasp-37185",
"created_at": "2022-09-04T14:38:02.820420Z",
"updated_at": "2022-09-04T14:38:02.820439Z",
"structure_string": "Mn1 Co3\n1.0\n3.499573 0.000000 -0.000000\n-0.000000 3.499573 -0.000000\n-0.000000 -0.000000 3.499573\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
"id": "jvasp-49597",
"created_at": "2022-09-04T14:37:27.754009Z",
"updated_at": "2022-09-04T14:37:27.754036Z",
"structure_string": "Mn2 Zn4 Sb2 O12\n1.0\n0.000000 5.276793 -0.019788\n7.657598 0.000000 0.000000\n0.000000 -0.337399 -5.302263\nMn Zn Sb O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.552933 0.250000 0.519220 Zn\n0.447066 0.750000 0.480780 Zn\n0.014523 0.250000 0.038474 Zn\n0.985477 0.750000 0.961526 Zn\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.319334 0.436007 0.668462 O\n0.921802 0.250000 0.399354 O\n0.680665 0.936008 0.331537 O\n0.588284 0.750000 0.870393 O\n0.810740 0.070691 0.838643 O\n0.189260 0.929309 0.161357 O\n0.810740 0.429309 0.838643 O\n0.319334 0.063993 0.668462 O\n0.411715 0.250000 0.129606 O\n0.680665 0.563993 0.331537 O\n0.189260 0.570691 0.161357 O\n0.078197 0.750000 0.600646 O\n",
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{
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"structure_string": "Co6 Ni2\n1.0\n4.967162 -0.000000 0.000000\n-2.483580 4.301689 0.000000\n-0.000000 -0.000000 4.011864\nCo Ni\n6 2\ndirect\n0.165511 0.331022 0.250000 Co\n0.834489 0.165511 0.749999 Co\n0.331022 0.165511 0.749999 Co\n0.834489 0.668978 0.749999 Co\n0.165511 0.834489 0.250000 Co\n0.668978 0.834489 0.250000 Co\n0.666666 0.333333 0.250000 Ni\n0.333333 0.666667 0.749999 Ni\n",
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]
}